1-(2-fluorophenyl)-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propan-1-ol

C17H22FNOS — CID 79490115

IUPAC1-(2-fluorophenyl)-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propan-1-ol
SMILESCC(Cc1cccs1)N(C)CCC(O)c1ccccc1F
InChIInChI=1S/C17H22FNOS/c1-13(12-14-6-5-11-21-14)19(2)10-9-17(20)15-7-3-4-8-16(15)18/h3-8,11,13,17,20H,9-10,12H2,1-2H3
InChIKeyQQENLYXMVPIHPR-UHFFFAOYSA-N
MW307.43 g/mol
LogP3.87
Rot. Bonds7

About 1-(2-fluorophenyl)-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propan-1-ol

1-(2-fluorophenyl)-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propan-1-ol (PubChem CID 79490115) has the molecular formula C17H22FNOS and a molecular weight of 307.43 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propan-1-ol.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propan-1-ol
PubChem CID79490115
Molecular FormulaC17H22FNOS
Molecular Weight307.43 g/mol
Exact Mass307.14
IUPAC Name1-(2-fluorophenyl)-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propan-1-ol
SMILESCC(Cc1cccs1)N(C)CCC(O)c1ccccc1F
InChIInChI=1S/C17H22FNOS/c1-13(12-14-6-5-11-21-14)19(2)10-9-17(20)15-7-3-4-8-16(15)18/h3-8,11,13,17,20H,9-10,12H2,1-2H3
InChIKeyQQENLYXMVPIHPR-UHFFFAOYSA-N
XLogP3.87
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenyl)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol
CID 79486832
1-(2-fluorophenyl)-2-thiophen-2-ylethanol
CID 62501519
N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79470909
1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol
CID 79485730
3-(dimethylamino)-1-(2-fluorophenyl)propan-1-ol
CID 62645456
3-(diethylamino)-1-(2-fluorophenyl)propan-1-ol
CID 62643876
N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)pentane-1,5-diamine
CID 79476552
1-(2-fluorophenyl)-2-methyl-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol
CID 115997187
3-[ethyl(propan-2-yl)amino]-1-(2-fluorophenyl)propan-1-ol
CID 62629969
3-(2-fluoro-N-methylanilino)-1-(2-fluorophenyl)propan-1-ol
CID 62629313
2-ethoxy-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]butanoic acid
CID 79494045
4-bromo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)butan-1-amine
CID 79486724

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propan-1-ol?
The IUPAC name of 1-(2-fluorophenyl)-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propan-1-ol (CID 79490115) is 1-(2-fluorophenyl)-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propan-1-ol.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propan-1-ol?
The canonical SMILES for 1-(2-fluorophenyl)-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propan-1-ol is CC(Cc1cccs1)N(C)CCC(O)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propan-1-ol?
The InChIKey is QQENLYXMVPIHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNOS/c1-13(12-14-6-5-11-21-14)19(2)10-9-17(20)15-7-3-4-8-16(15)18/h3-8,11,13,17,20H,9-10,12H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propan-1-ol?
1-(2-fluorophenyl)-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propan-1-ol has a molecular weight of 307.43 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propan-1-ol is sourced from PubChem (CID 79490115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).